UCSF

ZINC35807810

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 37 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.52 7.97 -15.58 1 8 0 82 525.671 14
Lo Low (pH 4.5-6) 4.52 9.95 -59.91 2 8 1 83 526.679 14

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )